CHEMBL1089438


SMILES COc1ccc(CC(=O)Nc2nc(Oc3ccccc3)nc3nc(-c4ccco4)nn23)cc1
InChIKey PSVHAWJNCNBNAP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 442.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A3 AA3R Human Adenosine A pKi 5.28 5.28 5.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database